trifluoro(phenyl)silane

• ChemBase ID: 97066
• Molecular Formular: C6H5F3Si
• Molecular Mass: 162.1846096
• Monoisotopic Mass: 162.01126135
• SMILES: [Si](c1ccccc1)(F)(F)F
• Canonical SMILES: F[Si](c1ccccc1)(F)F
• InChI: InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
• InChIKey: KGWNTHHPMKEAIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoro(phenyl)silane
• IUPAC Traditional name: trifluorophenyl silane
• Synonyms: Phenyltrifluorosilane

Database IDs

• CAS Number: 368-47-8
• MDL Number: MFCD00054907
• PubChem SID: 162083690
• PubChem CID: 9712

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6747
• LogD (pH = 7.4): 2.6747
• Log P: 2.6747
• Molar Refractivity: 29.9782 cm^3
• Polarizability: 12.608914 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -18°C
• Boiling Point: 102°C
• Flash Point: -5°C
• Density: 1.217
• Refractive Index: 1.411

Safety Information

• Storage Warning: Flammable